(1E)-1-[3-(4-bromanyl-2-nitro-phenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea

Systemtic Name: (1E)-1-[3-(4-bromanyl-2-nitro-phenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enyl-thiourea Openeye Name: (3E)-1-allyl-3-[3-(4-bromo-2-nitro-phenyl)thiazolidin-2-ylidene]thiourea CAS Name: (1E)-1-[3-(4-bromo-2-nitrophenyl)-2-thiazolidinylidene]-3-prop-2-enylthiourea IUPAC Name: (1E)-1-[3-(4-bromo-2-nitrophenyl)-1,3-thiazolidin-2-ylidene]-3-prop-2-enylthiourea Traditional Name: (3E)-1-allyl-3-[3-(4-bromo-2-nitro-phenyl)thiazolidin-2-ylidene]thiourea Formula: C13H13BrN4O2S2 MolecularWeight: 401.30192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N=C1N(CCS1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)/N=C/1\N(CCS1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O2S2/c1-2-5-15-12(21)16-13-17(6-7-22-13)10-4-3-9(14)8-11(10)18(19)20/h2-4,8H,1,5-7H2,(H,15,21)/b16-13+